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GPCR

NameBeta-2 adrenergic receptor
SpeciesBos taurus (Bovine)
GeneADRB2
SynonymBeta-2 adrenoceptor
Beta-2 adrenoreceptor
DiseaseN/A for non-human GPCRs
Length418
Amino acid sequenceMGQPGNRSVFLLAPNASHAPDQNVTLERDEAWVVGMGILMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGACHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYLAITSPFKYQCLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRASHKEAINCYAKETCCDFFTNQPYAIASSIVSFYLPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNVSQVEQDGRSGLGQRRTSKFYLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIKDNLIRKEIYILLNWLGYINSAFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGCSSNSNDRTDYTGEQSGYHLGEEKDSELLCEDPPGTENFVNQQGTVPSDSIDSQGRNCSTNDSLL
UniProtQ28044
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3373
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL105383
Molecular formulaC10H13NO3
IUPAC name1-(aminomethyl)-3,4-dihydro-1H-isochromene-6,7-diol
Molecular weight195.218
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP0.0
Synonyms83694-58-0
1H-2-Benzopyran-6,7-diol, 1-(aminomethyl)-3,4-dihydro-
BDBM50041914
1-(Aminomethyl)-3,4-dihydro-1H-2-benzopyran-6,7-diol
1-Aminomethyl-isochroman-6,7-diol
Inchi KeyICQJOAAZGCOTMT-UHFFFAOYSA-N
Inchi IDInChI=1S/C10H13NO3/c11-5-10-7-4-9(13)8(12)3-6(7)1-2-14-10/h3-4,10,12-13H,1-2,5,11H2
PubChem CID13864389
ChEMBLCHEMBL105383
IUPHARN/A
BindingDB50041914
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki28800.0 nMPMID8230093BindingDB,ChEMBL

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